(2E)-2-[(5-nitro-1H-imidazol-2-yl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-2-[(5-nitro-1H-imidazol-2-yl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-2-[(5-nitro-1H-imidazol-2-yl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-2-[(5-nitro-1H-imidazol-2-yl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-2-[(5-nitro-1H-imidazol-2-yl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-acetyl-3-(5-nitro-1H-imidazol-2-yl)acrylic acid Formula: C8H7N3O5 MolecularWeight: 225.15828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=NC=C(N1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)/C(=C\C1=NC=C(N1)[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C8H7N3O5/c1-4(12)5(8(13)14)2-6-9-3-7(10-6)11(15)16/h2-3H,1H3,(H,9,10)(H,13,14)/b5-2+